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Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals

Buckeridge, J; Catlow, CRA; Scanlon, DO; Keal, TW; Sherwood, P; Miskufova, M; Walsh, A; ... Sokol, AA; + view all (2014) Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals. Physical Review Letters , 114 , Article 016405 . 10.1103/PhysRevLett.114.016405. Green open access

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Abstract

We report accurate energetics of defects introduced in GaN on doping with divalent metals, focussing on the technologically important case of Mg doping, using a model which takes into consideration both the effect of hole localisation and dipolar polarisation of the host material, and includes a well-defined reference level. Defect formation and ionisation energies show that divalent dopants are counterbalanced in GaN by nitrogen vacancies and not by holes, which explains both the difficulty in achieving p-type conductivity in GaN and the associated major spectroscopic features, including the ubiquitous 3.46 eV photoluminescence line, a characteristic of all lightly divalent metal-doped GaN materials that has also been shown to occur in pure GaN samples. Our results give a comprehensive explanation for the observed behaviour of GaN doped with low concentrations of divalent metals in good agreement with relevant experiment.

Type: Article
Title: Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals
Open access status: An open access version is available from UCL Discovery
DOI: 10.1103/PhysRevLett.114.016405
Publisher version: http://dx.doi.org/10.1103/PhysRevLett.114.016405
Language: English
Additional information: This article is available under the terms of the Creative Commons Attribution 3.0 License. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/1458129
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